3-bromanyl-4-hexoxy-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[(2-propoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C24H30BrN3O4S MolecularWeight: 536.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCCC)Br

InChI

InChI=1S/C24H30BrN3O4S/c1-3-5-6-9-15-32-21-13-12-17(16-19(21)25)22(29)26-24(33)28-27-23(30)18-10-7-8-11-20(18)31-14-4-2/h7-8,10-13,16H,3-6,9,14-15H2,1-2H3,(H,27,30)(H2,26,28,29,33)